SCHEMBL3108447

SCHEMBL3108447

NCCC(=O)Nc1c[c]ccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
HDAC4 P56524 7/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC7 Q8WUI4 7/20 0.42
HDAC11 Q96DB2 7/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC9 Q9UKV0 7/20 0.42
HDAC5 Q9UQL6 7/20 0.42
HDAC3 O15379 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC10 Q969S8 6/20 0.42
NCOR2 Q9Y618 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3119494 0.92 LTA4H (0.47) TERTL3MBTL1HDAC4HDAC1HDAC7
SCHEMBL3111441 0.88 CA1 (0.51) TERTL3MBTL1MAPTHDAC4HDAC1
SCHEMBL1419036 0.86 MAPT (0.42) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL3333827 0.85 L3MBTL1 (0.60) L3MBTL1MAPTHTTMEN1KMT2A
SCHEMBL1418810 0.85 ALDH1A1 (0.57) MAPTHTTCA1CA2CYP2C19
SCHEMBL1418819 0.82 SCN1A (0.40) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL7320242 0.82 ALDH1A1 (0.52) MEN1KMT2ACYP3A4KDM4ECA1
SCHEMBL1418957 0.81 TERT (0.50) TERTHDAC4HDAC1HDAC7HDAC11
SCHEMBL6158044 0.81 NAMPT (0.48) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL7469487 0.81 LMNA (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150539-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-12-18 EP disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
EP-2150539-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET TERT 804/4885L3MBTL1 772/4885MAPT 4114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.